1,3,4,6,8,13-Hexahydroxy-10-(Hydroxymethyl)-11-Methylphenanthro[1,10,9,8-Opqra]Perylene-7,14-Dione

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Formula C30H16O9
IUPAC Name 1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
Molecular Mass 520.443 g·mol−1
Heat of Formation -1215.3 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 514.78 Å 3
Surface Area 414.8 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • hsci1_000222
  • lmpk02000043
  • phenanthro(1,10,9,8-opgra)perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methyl-, stereoisomer
  • pseudohypericin
  • psuedohypericin
  • smp2_000351
CAS Number(s)
  • 55954-61-5
InChIKey YXBUQQDFTYOHQI-UHFFFAOYSA-N
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